2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid

C₁₈₅H₁₃₅Cl₃F₂₉N₁₉O₂₄ — CID 162001811

About 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid

2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid (PubChem CID 162001811) has the molecular formula C₁₈₅H₁₃₅Cl₃F₂₉N₁₉O₂₄ and a molecular weight of 3665.52 g/mol. Its IUPAC name is 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
• PubChem CID: 162001811
• Molecular Formula: C₁₈₅H₁₃₅Cl₃F₂₉N₁₉O₂₄
• Molecular Weight: 3665.52 g/mol
• Exact Mass: 3661.85
• IUPAC Name: 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
• SMILES: COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(Cl)cc4F)n3)cc2F)nc2c(F)cc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3nc(OCc4ccc(C(F)F)cc4F)ccc3F)cc2F)nc2c(F)cc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3nc(OCc4ccc(C(F)F)cc4F)ccc3F)cc2F)nc2ccc(C(=O)O)cc21.O=C(O)c1cc(F)c2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(Cl)nc5)n4)cc3F)n(C[C@@H]3CCO3)c2c1.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C(F)(F)F)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(Cl)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1
• InChI: InChI=1S/C32H23F6N3O4.C31H23ClF3N3O4.C31H22F7N3O4.C31H23F6N3O4.C30H22ClF4N3O4.C30H22ClF3N4O4/c33-23-13-20(32(36,37)38)6-4-18(23)16-45-30-3-1-2-26(40-30)22-14-24(34)19(10-25(22)35)12-29-39-27-7-5-17(31(42)43)11-28(27)41(29)15-21-8-9-44-21;32-20-6-4-18(23(33)13-20)16-42-30-3-1-2-26(37-30)22-14-24(34)19(10-25(22)35)12-29-36-27-7-5-17(31(39)40)11-28(27)38(29)15-21-8-9-41-21;1-44-7-6-41-25-11-18(31(42)43)10-24(36)29(25)39-26(41)12-17-9-23(35)19(13-22(17)34)28-20(32)4-5-27(40-28)45-14-16-3-2-15(30(37)38)8-21(16)33;1-43-9-8-40-26-12-17(31(41)42)4-6-25(26)38-27(40)13-19-11-24(35)20(14-23(19)34)29-21(32)5-7-28(39-29)44-15-18-3-2-16(30(36)37)10-22(18)33;1-41-8-7-38-26-11-18(30(39)40)10-24(35)29(26)37-27(38)12-17-9-23(34)20(14-22(17)33)25-3-2-4-28(36-25)42-15-16-5-6-19(31)13-21(16)32;31-26-5-4-16(13-35-26)15-42-28-3-1-2-24(36-28)20-12-21(32)17(8-22(20)33)11-27-37-29-23(34)9-18(30(39)40)10-25(29)38(27)14-19-6-7-41-19/h1-7,10-11,13-14,21H,8-9,12,15-16H2,(H,42,43);1-7,10-11,13-14,21H,8-9,12,15-16H2,(H,39,40);2-5,8-11,13,30H,6-7,12,14H2,1H3,(H,42,43);2-7,10-12,14,30H,8-9,13,15H2,1H3,(H,41,42);2-6,9-11,13-14H,7-8,12,15H2,1H3,(H,39,40);1-5,8-10,12-13,19H,6-7,11,14-15H2,(H,39,40)/t2*21-;;;;19-/m00...0/s1
• InChIKey: YSHUJVGUOUCUGB-IYSWSFCASA-N
• XLogP: 41.41
• TPSA: 531.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 59
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3665.52
LogP ≤ 5	41.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?

The IUPAC name of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid (CID 162001811) is 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid.

What is the SMILES notation for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?

The canonical SMILES for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid is COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(Cl)cc4F)n3)cc2F)nc2c(F)cc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3nc(OCc4ccc(C(F)F)cc4F)ccc3F)cc2F)nc2c(F)cc(C(=O)O)cc21.COCCn1c(Cc2cc(F)c(-c3nc(OCc4ccc(C(F)F)cc4F)ccc3F)cc2F)nc2ccc(C(=O)O)cc21.O=C(O)c1cc(F)c2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(Cl)nc5)n4)cc3F)n(C[C@@H]3CCO3)c2c1.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C(F)(F)F)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(Cl)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1.

What is the InChIKey of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?

The InChIKey is YSHUJVGUOUCUGB-IYSWSFCASA-N. The full InChI is InChI=1S/C32H23F6N3O4.C31H23ClF3N3O4.C31H22F7N3O4.C31H23F6N3O4.C30H22ClF4N3O4.C30H22ClF3N4O4/c33-23-13-20(32(36,37)38)6-4-18(23)16-45-30-3-1-2-26(40-30)22-14-24(34)19(10-25(22)35)12-29-39-27-7-5-17(31(42)43)11-28(27)41(29)15-21-8-9-44-21;32-20-6-4-18(23(33)13-20)16-42-30-3-1-2-26(37-30)22-14-24(34)19(10-25(22)35)12-29-36-27-7-5-17(31(39)40)11-28(27)38(29)15-21-8-9-41-21;1-44-7-6-41-25-11-18(31(42)43)10-24(36)29(25)39-26(41)12-17-9-23(35)19(13-22(17)34)28-20(32)4-5-27(40-28)45-14-16-3-2-15(30(37)38)8-21(16)33;1-43-9-8-40-26-12-17(31(41)42)4-6-25(26)38-27(40)13-19-11-24(35)20(14-23(19)34)29-21(32)5-7-28(39-29)44-15-18-3-2-16(30(36)37)10-22(18)33;1-41-8-7-38-26-11-18(30(39)40)10-24(35)29(26)37-27(38)12-17-9-23(34)20(14-22(17)33)25-3-2-4-28(36-25)42-15-16-5-6-19(31)13-21(16)32;31-26-5-4-16(13-35-26)15-42-28-3-1-2-24(36-28)20-12-21(32)17(8-22(20)33)11-27-37-29-23(34)9-18(30(39)40)10-25(29)38(27)14-19-6-7-41-19/h1-7,10-11,13-14,21H,8-9,12,15-16H2,(H,42,43);1-7,10-11,13-14,21H,8-9,12,15-16H2,(H,39,40);2-5,8-11,13,30H,6-7,12,14H2,1H3,(H,42,43);2-7,10-12,14,30H,8-9,13,15H2,1H3,(H,41,42);2-6,9-11,13-14H,7-8,12,15H2,1H3,(H,39,40);1-5,8-10,12-13,19H,6-7,11,14-15H2,(H,39,40)/t2*21-;;;;19-/m00...0/s1.

What are the key properties of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?

2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid has a molecular weight of 3665.52 g/mol, XLogP of 41.41, 59 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[(6-chloro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[4-(difluoromethyl)-2-fluorophenyl]methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 162001811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162001811 — identifiers, structure, computed properties (public domain)

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